(1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene

C15H24O — CID 162397103

IUPAC(1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene
SMILESCC(C)=CCC[C@@H](C)[C@]12COC=C[C@@]1(C)C2
InChIInChI=1S/C15H24O/c1-12(2)6-5-7-13(3)15-10-14(15,4)8-9-16-11-15/h6,8-9,13H,5,7,10-11H2,1-4H3/t13-,14+,15+/m1/s1
InChIKeyLKASNEBAUNKXGH-ILXRZTDVSA-N
MW220.36 g/mol
LogP4.31
Rot. Bonds4

About (1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene

(1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene (PubChem CID 162397103) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene.

Molecular Properties

Compound Name(1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene
PubChem CID162397103
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene
SMILESCC(C)=CCC[C@@H](C)[C@]12COC=C[C@@]1(C)C2
InChIInChI=1S/C15H24O/c1-12(2)6-5-7-13(3)15-10-14(15,4)8-9-16-11-15/h6,8-9,13H,5,7,10-11H2,1-4H3/t13-,14+,15+/m1/s1
InChIKeyLKASNEBAUNKXGH-ILXRZTDVSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 21580503
CID 21580503
(1S,2S,4S)-3,3,7-trimethyl-12-methylidene-10-oxatricyclo[6.4.0.02,4]dodeca-6,8-diene
CID 21580504
Plagiochiline N
CID 11148642
4-Fluoro-1-(5-methoxypentyl)bicyclo[4.1.0]hepta-2,4-diene
CID 68177531
(+)-Plagiochiline W
CID 91749824
(+)-Plagiochiline X
CID 91749825
(3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene
CID 14467453
(1R,6S)-6-butyl-7,7-dimethyl-3-oxabicyclo[4.1.0]hept-4-ene
CID 162397904
(+)-(4S,5S,6S,7S)-Plagiochiline W
CID 91752520
(+)-(5S,6S,7S)-Plagiochiline X
CID 91752521
1-(Methoxymethyl)-1-(6-methylhept-5-en-2-yl)cyclopropane
CID 21080101
3,5-Dicyclopropyl-4-(1-ethoxyethenyl)-3,5-dimethylcyclohexene
CID 21544396

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene?
The IUPAC name of (1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene (CID 162397103) is (1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene.
What is the SMILES notation for (1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene?
The canonical SMILES for (1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene is CC(C)=CCC[C@@H](C)[C@]12COC=C[C@@]1(C)C2.
What is the InChIKey of (1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene?
The InChIKey is LKASNEBAUNKXGH-ILXRZTDVSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)6-5-7-13(3)15-10-14(15,4)8-9-16-11-15/h6,8-9,13H,5,7,10-11H2,1-4H3/t13-,14+,15+/m1/s1.
What are the key properties of (1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene?
(1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene has a molecular weight of 220.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene is sourced from PubChem (CID 162397103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).